2.0 2012-05-31 14:23:47 -0600 2015-07-07 11:16:51 -0600 ECMDB20030 M2MDB000879 1-Pyrroline Pyrrolines, also known under the name dihydropyrroles, are three different heterocyclic organic chemical compounds which differ in the position of the double bond. Pyrrolines are formally derived from the aromate pyrrole by hydrogenation. 1-Pyrroline is a cyclic imine while 2-pyrroline and 3-pyrroline are cyclic amines. 3,4-Dihydro-2H-Pyrrole Delta(1)-Pyrroline δ(1)-Pyrroline C4H7N 69.1051 69.057849229 3,4-dihydro-2H-pyrrole 1-pyrroline 5724-81-2 C1CC=NC1 InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2 ZVJHJDDKYZXRJI-UHFFFAOYSA-N Outer membrane Inner membrane logp 1.26 ALOGPS logs -0.88 ALOGPS solubility 9.06e+00 g/l ALOGPS logp 0.081 ChemAxon pka_strongest_basic 8.68 ChemAxon iupac 3,4-dihydro-2H-pyrrole ChemAxon average_mass 69.1051 ChemAxon mono_mass 69.057849229 ChemAxon smiles C1CC=NC1 ChemAxon formula C4H7N ChemAxon inchi InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2 ChemAxon inchikey ZVJHJDDKYZXRJI-UHFFFAOYSA-N ChemAxon polar_surface_area 12.36 ChemAxon refractivity 21.57 ChemAxon polarizability 7.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Arginine and proline metabolism ec00330 Collection of Reactions without pathways PW001891 Metabolic Specdb::CMs 12397 Specdb::CMs 152277 Specdb::CMs 154491 Specdb::NmrOneD 56522 Specdb::NmrOneD 56523 Specdb::NmrOneD 56524 Specdb::NmrOneD 56525 Specdb::NmrOneD 56526 Specdb::NmrOneD 56527 Specdb::NmrOneD 56528 Specdb::NmrOneD 56529 Specdb::NmrOneD 56530 Specdb::NmrOneD 56531 Specdb::NmrOneD 56532 Specdb::NmrOneD 56533 Specdb::NmrOneD 56534 Specdb::NmrOneD 56535 Specdb::NmrOneD 56536 Specdb::NmrOneD 56537 Specdb::NmrOneD 56538 Specdb::NmrOneD 56539 Specdb::NmrOneD 56540 Specdb::NmrOneD 56541 Specdb::NmrOneD 151610 Specdb::NmrOneD 151611 Specdb::NmrOneD 151612 Specdb::NmrOneD 151613 Specdb::NmrOneD 151614 Specdb::MsMs 8108 Specdb::MsMs 8109 Specdb::MsMs 8110 Specdb::MsMs 14780 Specdb::MsMs 14781 Specdb::MsMs 14782 Specdb::MsMs 3046744 Specdb::MsMs 3046745 Specdb::MsMs 3046746 Specdb::MsMs 3096316 Specdb::MsMs 3096317 Specdb::MsMs 3096318 HMDB12497 79803 C15668 19092 CPD-6124 1-pyrroline Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Putrescine aminotransferase P42588 PAT_ECOLI patA http://ecmdb.ca/proteins/P42588.xml 4-Aminobutyraldehyde > 1-Pyrroline + Water RXN-6423 Putrescine + Oxoglutaric acid > L-Glutamate + 1-Pyrroline + Water Ethylenediamine + alpha-Ketoglutarate + 4-Aminobutyraldehyde <> 1-Pyrroline + L-Glutamate + Water R10064 Putrescine + Oxoglutaric acid <> L-Glutamic acid + 1-Pyrroline + Water + L-Glutamate PW_R005441